BioLiP

PDB

BioLiP

PDB CCD ID:

A1JH9

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3

InChIKey:

XLJYIYIBJUWRLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2OCCNc2c1
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)NCCO2

Name:

6-methoxy-3,4-dihydro-2~{H}-1,4-benzoxazine

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).